ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one

C9H19NO2 — CID 177197066

IUPACethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
SMILESCC.CCN1OC(C)(C)CC1=O
InChIInChI=1S/C7H13NO2.C2H6/c1-4-8-6(9)5-7(2,3)10-8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyIAGOFRQXFMTZNA-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.98
Rot. Bonds1

About ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one

ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one (PubChem CID 177197066) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one.

Molecular Properties

Compound Nameethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
PubChem CID177197066
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Nameethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
SMILESCC.CCN1OC(C)(C)CC1=O
InChIInChI=1S/C7H13NO2.C2H6/c1-4-8-6(9)5-7(2,3)10-8;1-2/h4-5H2,1-3H3;1-2H3
InChIKeyIAGOFRQXFMTZNA-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5,5-Trimethyl-1,2-oxazolidin-3-one
CID 12326450
2-Ethyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 12380219
3-Hydroxy-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 53770904
2-But-3-ynyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 59730718
1-(3-Ethylpentan-3-yloxy)pyrrolidin-2-one
CID 89535463
1-[(2-Methylpropan-2-yl)oxy]pyrrolidin-2-one
CID 89730131
1-(2,3-Dimethylbutan-2-yloxy)pyrrolidin-2-one
CID 89820830
5,5-Dimethyl-2-(2-methylpropyl)-1,2-oxazolidin-3-one
CID 177197067
5,5-Dimethyl-2-propyl-1,2-oxazolidin-3-one
CID 177197073
2-Butyl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 12380214
5,5-Dimethyl-2-propan-2-yl-1,2-oxazolidin-3-one
CID 12380216
2-Butan-2-yl-5,5-dimethyl-1,2-oxazolidin-3-one
CID 12380217

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one?
The IUPAC name of ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one (CID 177197066) is ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one.
What is the SMILES notation for ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one?
The canonical SMILES for ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one is CC.CCN1OC(C)(C)CC1=O.
What is the InChIKey of ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one?
The InChIKey is IAGOFRQXFMTZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.C2H6/c1-4-8-6(9)5-7(2,3)10-8;1-2/h4-5H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one?
ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one has a molecular weight of 173.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5,5-dimethyl-1,2-oxazolidin-3-one is sourced from PubChem (CID 177197066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).